Inorganic Solid Phases

Ni1.68Fe1.33P0.99 (Fe1.5Ni1.5P) Crystal Structure

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General Information

  • Phase Label(s): Fe1.5Ni1.5P
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): barringerite
  • Pearson Symbol: tI32
  • Space Group: 82
  • Phase Prototype: Ni3P
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI P (determination of structural parameters), X-rays, Co Kα1 (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): phosphide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.101; wRP = 0.129; RB = 0.067
  • Sample Detail(s): sample prepared from Ni, P red, Fe, chemical analysis; Ni1.678(10)Fe1.328(8)P0.994(7), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Fe1.33Ni1.67P
  • Alphabetic Formula: Fe1.33Ni1.67P
  • Published Formula: Ni1.68Fe1.33P0.99
  • Refined Formula: Fe1.33Ni1.67P
  • Wyckoff Sequence: 82,g4
  • Z Formula Units: 8
  • Density: ρ = 7.48 Mg·m−3
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Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1220500

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

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